CID 10904452

4-bromo-4'-iodobiphenyl

Structural Information

Molecular Formula
C12H8BrI
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)I)Br
InChI
InChI=1S/C12H8BrI/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
InChIKey
GWOAJJWBCSUGHH-UHFFFAOYSA-N
Compound name
1-bromo-4-(4-iodophenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

997
Patents

357.8854 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.89268 154.1
[M+Na]+ 380.87462 159.1
[M-H]- 356.87812 156.3
[M+NH4]+ 375.91922 170.1
[M+K]+ 396.84856 153.2
[M+H-H2O]+ 340.88266 150.1
[M+HCOO]- 402.88360 171.3
[M+CH3COO]- 416.89925 165.1
[M+Na-2H]- 378.86007 150.8
[M]+ 357.88485 168.4
[M]- 357.88595 168.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe